SCHEMBL4136225

SCHEMBL4136225

[CH2]c1cncc(-c2ccco2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 5/20 0.41
KDM4E B2RXH2 4/20 0.41
TAAR1 Q96RJ0 2/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNB3 Q05901 1/20 0.41
POLB P06746 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
ALOX15 P16050 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
LMNA P02545 2/20 0.41
PKM P14618 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7060329 0.78 MAPT (0.45) ALDH1A1HPGDHSD17B10KDM4ETAAR1
SCHEMBL14908895 0.78 PIK3R1 (0.46) ALDH1A1HPGDHSD17B10KDM4ETAAR1
SCHEMBL4136229 0.78 CHRNB1 (0.44) ALDH1A1HPGDHSD17B10KDM4ETAAR1
SCHEMBL27773463 0.75 CHRNB1 (0.51) ALDH1A1HPGDKDM4ECHRNB1CHRNB2
SCHEMBL2460211 0.75 KEAP1 (0.53) ALDH1A1HPGDHSD17B10KDM4ETAAR1
SCHEMBL12459123 0.74 CHRNB1 (0.41) ALDH1A1HPGDHSD17B10KDM4ETAAR1
SCHEMBL4135657 0.74 PRMT6 (0.43) ALDH1A1HPGDHSD17B10KDM4ETAAR1
SCHEMBL16330614 0.74 PRMT6 (0.46) ALDH1A1HPGDHSD17B10KDM4ETAAR1
SCHEMBL17773147 0.74 TAAR1 (0.42) ALDH1A1HPGDHSD17B10KDM4ETAAR1
SCHEMBL4140264 0.74 ERN1 (0.46) ALDH1A1HPGDHSD17B10KDM4ETAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 ALDH1A1 3789/4885HPGD 3589/4885HSD17B10 1478/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 ALDH1A1 3409/4885HPGD 3414/4885HSD17B10 1172/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.